N-cyclopropyl-3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide

C25H26FN3O3S2 — CID 39229801

IUPACN-cyclopropyl-3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C25H26FN3O3S2/c26-23-7-2-1-6-22(23)24-11-10-20(33-24)17-28-12-14-29(15-13-28)25(30)18-4-3-5-21(16-18)34(31,32)27-19-8-9-19/h1-7,10-11,16,19,27H,8-9,12-15,17H2
InChIKeyCCQLPCCUPDIXSS-UHFFFAOYSA-N
MW499.63 g/mol
LogP3.95
Rot. Bonds7

About N-cyclopropyl-3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide

N-cyclopropyl-3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 39229801) has the molecular formula C25H26FN3O3S2 and a molecular weight of 499.63 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide
PubChem CID39229801
Molecular FormulaC25H26FN3O3S2
Molecular Weight499.63 g/mol
Exact Mass499.14
IUPAC NameN-cyclopropyl-3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C25H26FN3O3S2/c26-23-7-2-1-6-22(23)24-11-10-20(33-24)17-28-12-14-29(15-13-28)25(30)18-4-3-5-21(16-18)34(31,32)27-19-8-9-19/h1-7,10-11,16,19,27H,8-9,12-15,17H2
InChIKeyCCQLPCCUPDIXSS-UHFFFAOYSA-N
XLogP3.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30855365
N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063351
[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55573164
3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119423037
1-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703611
N-cyclopropyl-3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119622166
N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063352
3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 31114867
1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine
CID 55573570
[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 38358623
N-[2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 55940485
3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 29465366

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide (CID 39229801) is N-cyclopropyl-3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide is O=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1.
What is the InChIKey of N-cyclopropyl-3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is CCQLPCCUPDIXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3S2/c26-23-7-2-1-6-22(23)24-11-10-20(33-24)17-28-12-14-29(15-13-28)25(30)18-4-3-5-21(16-18)34(31,32)27-19-8-9-19/h1-7,10-11,16,19,27H,8-9,12-15,17H2.
What are the key properties of N-cyclopropyl-3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide?
N-cyclopropyl-3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 499.63 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 39229801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).